SCHEMBL2361899

SCHEMBL2361899

CCC1(C(=O)c2c[nH]c3ncc(-c4cccc(N5CCCC5)c4)nc23)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.39
ATR Q13535 2/20 0.39
SYK P43405 3/20 0.38
CYP2C9 P11712 1/20 0.38
PRKCI P41743 1/20 0.38
KIT P10721 1/20 0.37
MAPK1 P28482 1/20 0.37
KCNH2 Q12809 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
GRK6 P43250 1/20 0.36
MAP4K1 Q92918 1/20 0.36
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
GAS6 Q14393 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2354831 0.89 JAK3 (0.38) JAK3SYKCYP2C9MAPK1KCNH2
SCHEMBL2278185 0.88 JAK3 (0.40) JAK3ATRSYKCYP2C9PRKCI
SCHEMBL3188154 0.88 TP53 (0.38) JAK3SYKPRKCIMAPK1
SCHEMBL2275354 0.87 JAK3 (0.40) JAK3ATRSYKCYP2C9PRKCI
SCHEMBL2275232 0.87 JAK3 (0.40) JAK3ATRSYKCYP2C9PRKCI
SCHEMBL3434618 0.85 PRKD1 (0.42) JAK3SYKCYP2C9KCNH2ROCK2
SCHEMBL2354465 0.84 JAK3 (0.40) JAK3SYKCYP2C9MAPK1KCNH2
SCHEMBL2344634 0.83 JAK3 (0.41) JAK3ATRSYKCYP2C9PRKCI
SCHEMBL2277827 0.83 JAK3 (0.41) JAK3ATRSYKCYP2C9PRKCI
SCHEMBL2282052 0.83 ATR (0.47) JAK3ATRSYKKIT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 JAK3 7/4885ATR 959/4885SYK 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.